Training neural nets to learn reactive potential energy surfaces using interactive quantum chemistry in virtual reality. - Silvia Amabilino; Lars A. Bratholm; Simon J. Bennie; Alain C. Vaucher; Markus Reiher; David R. Glowacki (CoRR, 2019)

Guidelines for Recurrent Neural Network Transfer Learning-Based Molecular Generation of Focused Libraries. - Silvia Amabilino; Peter Pogány; Stephen D. Pickett; Darren V. S. Green (J. Chem. Inf. Model., 2020)